3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one

C9H14F3NO — CID 127053541

IUPAC3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one
SMILESCC1(C)CN(CC(F)(F)F)CCC1=O
InChIInChI=1S/C9H14F3NO/c1-8(2)5-13(4-3-7(8)14)6-9(10,11)12/h3-6H2,1-2H3
InChIKeyDUFPVLVUNGLSBO-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.85
Rot. Bonds1

About 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one

3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one (PubChem CID 127053541) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one
PubChem CID127053541
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one
SMILESCC1(C)CN(CC(F)(F)F)CCC1=O
InChIInChI=1S/C9H14F3NO/c1-8(2)5-13(4-3-7(8)14)6-9(10,11)12/h3-6H2,1-2H3
InChIKeyDUFPVLVUNGLSBO-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one?
The IUPAC name of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one (CID 127053541) is 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one.
What is the SMILES notation for 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one?
The canonical SMILES for 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one is CC1(C)CN(CC(F)(F)F)CCC1=O.
What is the InChIKey of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one?
The InChIKey is DUFPVLVUNGLSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-8(2)5-13(4-3-7(8)14)6-9(10,11)12/h3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one?
3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one has a molecular weight of 209.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one is sourced from PubChem (CID 127053541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).